CID 15031649

2-phenyl-5,6,7,8-tetrahydroindolizine

Structural Information

Molecular Formula
C14H15N
SMILES
C1CCN2C=C(C=C2C1)C3=CC=CC=C3
InChI
InChI=1S/C14H15N/c1-2-6-12(7-3-1)13-10-14-8-4-5-9-15(14)11-13/h1-3,6-7,10-11H,4-5,8-9H2
InChIKey
TVEZCLGPJYDIIM-UHFFFAOYSA-N
Compound name
2-phenyl-5,6,7,8-tetrahydroindolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

197.12045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12773 143.4
[M+Na]+ 220.10967 150.4
[M-H]- 196.11317 149.2
[M+NH4]+ 215.15427 163.9
[M+K]+ 236.08361 146.1
[M+H-H2O]+ 180.11771 135.7
[M+HCOO]- 242.11865 164.3
[M+CH3COO]- 256.13430 156.1
[M+Na-2H]- 218.09512 149.0
[M]+ 197.11990 140.0
[M]- 197.12100 140.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe